2-(4,4-difluorocyclohexyl)propanoic acid

C9H14F2O2 — CID 21016272

IUPAC2-(4,4-difluorocyclohexyl)propanoic acid
SMILESCC(C(=O)O)C1CCC(F)(F)CC1
InChIInChI=1S/C9H14F2O2/c1-6(8(12)13)7-2-4-9(10,11)5-3-7/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyUSXTVXJALWOBMF-UHFFFAOYSA-N
MW192.20 g/mol
LogP2.53
Rot. Bonds2

About 2-(4,4-difluorocyclohexyl)propanoic acid

2-(4,4-difluorocyclohexyl)propanoic acid (PubChem CID 21016272) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)propanoic acid.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)propanoic acid
PubChem CID21016272
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name2-(4,4-difluorocyclohexyl)propanoic acid
SMILESCC(C(=O)O)C1CCC(F)(F)CC1
InChIInChI=1S/C9H14F2O2/c1-6(8(12)13)7-2-4-9(10,11)5-3-7/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyUSXTVXJALWOBMF-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)propanoic acid?
The IUPAC name of 2-(4,4-difluorocyclohexyl)propanoic acid (CID 21016272) is 2-(4,4-difluorocyclohexyl)propanoic acid.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)propanoic acid?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)propanoic acid is CC(C(=O)O)C1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)propanoic acid?
The InChIKey is USXTVXJALWOBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O2/c1-6(8(12)13)7-2-4-9(10,11)5-3-7/h6-7H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-(4,4-difluorocyclohexyl)propanoic acid?
2-(4,4-difluorocyclohexyl)propanoic acid has a molecular weight of 192.20 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)propanoic acid is sourced from PubChem (CID 21016272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).